Compound Detail
CHEMBL2169894
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Basic Information
| ChEMBL ID | CHEMBL2169894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUXADAMOXLPXMT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
1.14
ALogP
5
HBA
3
HBD
133.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 7.82 | 7.44 | 15.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 54.0 | % | Rattus norvegicus |
| F | 1.0 | % | Rattus norvegicus |
| MRT | 0.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change afte... | 22803959 |
| Sodium/hydrogen exchanger 1 | IC50 | = | 88.0 | nM | 7.06 | Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propio... | 22803959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22803959 | 10.1021/jm300601d | Rattus norvegicus | 4 |
| 22803959 | 10.1021/jm300601d | Sodium/hydrogen exchanger 1 | 2 |
| 22803959 | 10.1021/jm300601d | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine